2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol

C14H30O2S2 — CID 23403

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IUPAC2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol
SMILESOCCSCCCCCCCCCCSCCO
InChIInChI=1S/C14H30O2S2/c15-9-13-17-11-7-5-3-1-2-4-6-8-12-18-14-10-16/h15-16H,1-14H2
InChIKeyWRCITXQNXAIKLR-UHFFFAOYSA-N
MW294.53 g/mol
LogP3.56
Rot. Bonds15

About 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol

2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol (PubChem CID 23403) has the molecular formula C14H30O2S2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol
PubChem CID23403
Molecular FormulaC14H30O2S2
Molecular Weight294.53 g/mol
Exact Mass294.17
IUPAC Name2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol
SMILESOCCSCCCCCCCCCCSCCO
InChIInChI=1S/C14H30O2S2/c15-9-13-17-11-7-5-3-1-2-4-6-8-12-18-14-10-16/h15-16H,1-14H2
InChIKeyWRCITXQNXAIKLR-UHFFFAOYSA-N
XLogP3.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Octylthio)ethanol
CID 19079
2-(Decylthio)ethanol
CID 96654
Ethanol, 2-(dodecylthio)-
CID 73835
2-(Octylsulfinyl)ethanol
CID 151456
2-(Hexylthio)ethanol
CID 90519
2-((5-((2-Hydroxyethyl)sulfanyl)pentyl)sulfanyl)ethan-1-ol
CID 223140
1,4-Bis(2-hydroxyethylthio)butane
CID 81927
2-(Dodecylsulphinyl)ethanol
CID 88528
2-Hydroxyethyl heptyl sulfide
CID 141326
2-(Decylsulphinyl)ethanol
CID 81738
1-(Decylsulfanyl)propan-2-ol
CID 3024791
2-(Octadecylsulfanyl)ethan-1-ol
CID 305444

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol?
The IUPAC name of 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol (CID 23403) is 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol.
What is the SMILES notation for 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol?
The canonical SMILES for 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol is OCCSCCCCCCCCCCSCCO.
What is the InChIKey of 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol?
The InChIKey is WRCITXQNXAIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2S2/c15-9-13-17-11-7-5-3-1-2-4-6-8-12-18-14-10-16/h15-16H,1-14H2.
What are the key properties of 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol?
2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol has a molecular weight of 294.53 g/mol, XLogP of 3.56, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2-hydroxyethylsulfanyl)decylsulfanyl]ethanol is sourced from PubChem (CID 23403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).